Manganese in PDB 6hlf: X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A, PDB code: 6hlf was solved by J.Hermann, P.Nowotny, S.Schneider, D.Hekmat, D.Weuster-Botz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.97 / 1.55
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	55.580, 81.780, 114.890, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 19.9

The structure of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Manganese atom in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A (pdb code 6hlf). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A, PDB code: 6hlf:

Manganese binding site 1 out of 1 in the X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of Lactobacillus Brevis Alcohol Dehydrogenase Mutant - K32A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn302 b:23.3 occ:0.15 MG A:MG301 0.0 24.2 0.3 O A:HOH570 2.0 18.3 0.5 O A:GLN251 2.1 17.6 1.0 O A:HOH465 2.1 17.9 1.0 O A:HOH586 2.2 21.0 0.5 C A:GLN251 3.1 18.5 1.0 OXT A:GLN251 3.4 17.2 1.0 O A:TYR248 4.3 16.8 1.0 O A:HOH455 4.3 27.1 1.0 O A:HOH599 4.3 31.6 1.0 CA A:GLN251 4.4 17.6 1.0 O A:THR249 4.6 19.2 1.0 CG1 A:VAL147 4.6 18.3 1.0 N A:GLN251 4.7 16.1 1.0 O A:HOH453 4.9 20.8 1.0 CG A:GLN251 4.9 17.5 1.0 C A:THR249 4.9 18.7 1.0 CA A:THR249 4.9 16.4 1.0

P.Nowotny, J.Hermann, J.Li, A.Krautenbacher, K.Klopfer, D.Hekmat, D.Weuster-Botz. Rational Crystal Contact Engineering of Lactobacillus Brevis Alcohol Dehydrogenase to Promote Technical Protein Crystallization Cryst.Growth Des. 2019.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.9B00067